8-[(2-chlorophenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C16H18ClN3O4 — CID 72851726

IUPAC8-[(2-chlorophenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESO=C1CC(C(=O)O)C2(CCN(C(=O)Nc3ccccc3Cl)CC2)N1
InChIInChI=1S/C16H18ClN3O4/c17-11-3-1-2-4-12(11)18-15(24)20-7-5-16(6-8-20)10(14(22)23)9-13(21)19-16/h1-4,10H,5-9H2,(H,18,24)(H,19,21)(H,22,23)
InChIKeyWQVVXUZLDMOJHI-UHFFFAOYSA-N
MW351.79 g/mol
LogP1.93
Rot. Bonds2

About 8-[(2-chlorophenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-[(2-chlorophenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72851726) has the molecular formula C16H18ClN3O4 and a molecular weight of 351.79 g/mol. Its IUPAC name is 8-[(2-chlorophenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-[(2-chlorophenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72851726
Molecular FormulaC16H18ClN3O4
Molecular Weight351.79 g/mol
Exact Mass351.10
IUPAC Name8-[(2-chlorophenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESO=C1CC(C(=O)O)C2(CCN(C(=O)Nc3ccccc3Cl)CC2)N1
InChIInChI=1S/C16H18ClN3O4/c17-11-3-1-2-4-12(11)18-15(24)20-7-5-16(6-8-20)10(14(22)23)9-13(21)19-16/h1-4,10H,5-9H2,(H,18,24)(H,19,21)(H,22,23)
InChIKeyWQVVXUZLDMOJHI-UHFFFAOYSA-N
XLogP1.93
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

US10098902, Example 42
CID 57331522
8-{[(3-Chloro-2-methylphenyl)amino]carbonyl}-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72861316
8-{[(3-Fluorophenyl)amino]carbonyl}-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72880435
8-{[(2,5-Dimethylphenyl)amino]carbonyl}-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72886739
8-{[(4-Chlorobenzyl)amino]carbonyl}-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72939735
8-(Anilinocarbonyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72843008
8-{[(2-Chloro-6-methylphenyl)amino]carbonyl}-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72918758
N2-(2-Chlorophenyl)-N4,N4-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 91912633
(5S)-N-(2-chlorophenyl)-7-(2,2-dimethylpropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 95707934
1-[2-[(2-Chlorophenyl)carbamoylamino]-2-methylpropanoyl]piperidine-4-carboxylic acid
CID 50898249
1-[(2-Chloro-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43135797
2-[1-[(2-Chloro-4-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62691149

Frequently Asked Questions

What is the IUPAC name of 8-[(2-chlorophenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-[(2-chlorophenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72851726) is 8-[(2-chlorophenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-[(2-chlorophenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-[(2-chlorophenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is O=C1CC(C(=O)O)C2(CCN(C(=O)Nc3ccccc3Cl)CC2)N1.
What is the InChIKey of 8-[(2-chlorophenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is WQVVXUZLDMOJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4/c17-11-3-1-2-4-12(11)18-15(24)20-7-5-16(6-8-20)10(14(22)23)9-13(21)19-16/h1-4,10H,5-9H2,(H,18,24)(H,19,21)(H,22,23).
What are the key properties of 8-[(2-chlorophenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-[(2-chlorophenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 351.79 g/mol, XLogP of 1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-chlorophenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72851726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).